#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d49 s THR 2 N 0.00 3.65 -0.30 0.00 2.01 -1.26 -4.83 115.64 114.91 2d49 s THR 2 Ca 0.00 1.65 -0.18 0.00 0.31 0.00 0.00 61.69 63.47 2d49 s THR 2 Cb 0.00 -4.05 0.19 0.00 0.01 0.00 0.00 72.50 68.65 2d49 s THR 2 CO 0.00 0.39 1.21 0.00 -0.69 0.00 0.00 174.62 175.53 2d49 s ALA 4 N 1.98 2.29 0.22 0.00 0.00 -1.26 -4.92 121.76 120.07 2d49 s ALA 4 Ca -0.02 0.71 -0.32 0.00 0.00 0.00 0.00 51.96 52.34 2d49 s ALA 4 Cb -0.02 -3.39 -0.12 0.00 0.00 0.00 0.00 23.12 19.58 2d49 s ALA 4 CO -0.16 -1.57 1.69 -2.37 0.00 0.00 0.00 175.76 173.35 2d49 n THR 5 N -2.56 0.18 -1.54 0.00 5.66 -1.26 -2.92 114.28 111.84 2d49 n THR 5 Ca 0.12 -0.05 -0.42 0.00 -3.05 0.00 0.00 64.05 60.65 2d49 n THR 5 Cb 0.51 -1.95 0.01 0.00 -1.55 0.00 0.00 70.33 67.35 2d49 n THR 5 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2d49 n ALA 6 N 3.61 -0.62 -1.56 1.79 0.00 -1.26 -1.95 120.51 120.52 2d49 n ALA 6 Ca 0.15 0.22 -0.41 0.00 0.00 0.00 0.00 53.44 53.40 2d49 n ALA 6 Cb 0.35 -1.94 0.01 0.00 0.00 0.00 0.00 19.45 17.87 2d49 n ALA 6 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 2d49 n TRP 7 N -0.57 0.57 -3.67 0.00 -0.00 -0.94 -4.69 117.44 108.14 2d49 n TRP 7 Ca 0.11 0.56 -0.25 0.00 -0.00 0.00 0.00 57.50 57.92 2d49 n TRP 7 Cb 0.38 -2.14 -0.17 0.00 -0.00 0.00 0.00 31.31 29.38 2d49 n TRP 7 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 177.69 176.57 2d49 s SER 8 N -0.87 2.21 0.40 5.87 0.01 -1.26 -4.99 113.70 115.07 2d49 s SER 8 Ca 0.65 -0.49 0.28 0.00 1.31 0.00 0.00 55.95 57.70 2d49 s SER 8 Cb -0.56 -0.34 1.41 0.00 0.21 0.00 0.00 66.02 66.74 2d49 s SER 8 CO 0.56 -0.30 1.85 0.77 0.41 0.00 0.00 173.24 176.53 2d49 h SER 9 N 8.37 0.00 -0.69 2.44 4.64 -1.95 -1.54 113.55 124.81 2d49 h SER 9 Ca -0.15 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.88 2d49 h SER 9 Cb 1.13 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.05 2d49 h SER 9 CO 0.28 0.00 0.37 -0.24 -0.87 0.00 0.00 176.83 176.36 2d49 n SER 10 N -2.51 3.95 -3.19 4.97 2.88 -1.26 -4.48 113.62 113.97 2d49 n SER 10 Ca -0.01 -3.12 0.01 0.00 -1.33 0.00 0.00 58.87 54.42 2d49 n SER 10 Cb 0.12 -0.73 -0.02 0.00 -0.75 0.00 0.00 64.21 62.82 2d49 n SER 10 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2d49 s SER 11 N -0.76 -1.05 0.18 -3.46 0.01 -0.58 -5.14 113.70 102.90 2d49 s SER 11 Ca 0.45 0.57 -0.31 0.00 1.31 0.00 0.00 55.95 57.97 2d49 s SER 11 Cb 0.37 1.90 -0.09 0.00 0.21 0.00 0.00 66.02 68.41 2d49 s SER 11 CO 0.10 -0.28 1.41 0.54 0.41 0.00 0.00 173.24 175.42 2d49 s VAL 12 N 2.78 3.01 0.39 3.43 0.11 -1.26 -4.73 120.40 124.14 2d49 s VAL 12 Ca 0.17 0.78 0.08 0.00 -2.93 0.00 0.00 61.98 60.08 2d49 s VAL 12 Cb -0.14 -3.50 -0.01 0.00 -1.53 0.00 0.00 36.38 31.20 2d49 s VAL 12 CO -0.22 0.09 0.41 -0.31 -3.33 0.00 0.00 175.10 171.75 2d49 s TYR 13 N 0.56 2.80 0.07 1.54 2.02 -0.78 -4.97 117.35 118.60 2d49 s TYR 13 Ca 0.62 -0.41 -0.00 0.00 -0.37 0.00 0.00 57.07 56.91 2d49 s TYR 13 Cb -0.39 -2.13 0.00 0.00 -0.40 0.00 0.00 41.96 39.04 2d49 s TYR 13 CO 0.36 -0.12 0.09 0.25 -1.57 0.00 0.00 175.55 174.56 2d49 n THR 14 N -1.59 0.00 -1.67 -0.71 -2.24 -1.26 -0.37 114.28 106.45 2d49 n THR 14 Ca 0.03 -0.38 -0.51 0.00 -2.27 0.00 0.00 64.05 60.92 2d49 n THR 14 Cb 0.60 0.23 -0.05 0.00 -2.10 0.00 0.00 70.33 69.01 2d49 n THR 14 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2d49 n ASN 15 N -2.13 2.71 0.00 3.42 0.23 -1.23 -0.44 115.26 117.82 2d49 n ASN 15 Ca 0.00 1.06 0.00 0.00 -0.53 0.00 0.00 54.58 55.11 2d49 n ASN 15 Cb 0.12 -1.29 0.00 0.00 -2.08 0.00 0.00 39.78 36.53 2d49 n ASN 15 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2d49 n GLY 16 N 3.72 3.07 3.64 4.83 0.00 -1.23 -4.90 105.19 114.31 2d49 n GLY 16 Ca 0.21 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.72 2d49 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d49 n GLY 17 N -0.57 1.07 3.66 -0.02 0.00 0.41 -4.77 105.19 104.97 2d49 n GLY 17 Ca 0.00 0.90 -0.32 0.00 0.00 0.00 0.00 46.02 46.60 2d49 n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2d49 s THR 18 N 4.79 4.01 0.30 2.61 2.01 -1.26 -1.58 115.64 126.53 2d49 s THR 18 Ca 0.98 -0.70 -0.01 0.00 0.31 0.00 0.00 61.69 62.27 2d49 s THR 18 Cb -0.83 -2.79 0.01 0.00 0.01 0.00 0.00 72.50 68.90 2d49 s THR 18 CO 0.55 0.35 0.42 1.33 -0.69 0.00 0.00 174.62 176.57 2d49 n VAL 19 N 1.33 0.00 -4.24 3.82 0.24 0.47 -4.21 118.33 115.74 2d49 n VAL 19 Ca -0.14 -1.56 -0.21 0.00 -2.04 0.00 0.00 64.34 60.38 2d49 n VAL 19 Cb 0.53 0.96 -0.12 0.00 -1.47 0.00 0.00 33.84 33.73 2d49 n VAL 19 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2d49 s SER 20 N -2.89 2.16 -0.29 -1.34 1.04 -0.82 -0.39 113.70 111.17 2d49 s SER 20 Ca 0.25 -0.66 -0.25 0.00 0.48 0.00 0.00 55.95 55.77 2d49 s SER 20 Cb -0.01 -0.10 0.18 0.00 0.10 0.00 0.00 66.02 66.19 2d49 s SER 20 CO 0.18 -0.01 1.38 -0.47 0.98 0.00 0.00 173.24 175.31 2d49 s TYR 21 N -1.25 -0.11 -1.93 5.02 5.04 0.49 -2.21 117.35 122.39 2d49 s TYR 21 Ca 0.03 0.28 0.00 0.00 -2.44 0.00 0.00 57.07 54.94 2d49 s TYR 21 Cb -0.10 0.47 0.00 0.00 0.35 0.00 0.00 41.96 42.68 2d49 s TYR 21 CO 0.03 -0.06 0.00 -1.71 -1.34 0.00 0.00 175.55 172.48 2d49 n ASN 22 N 1.61 -5.28 0.00 4.32 4.05 -1.26 -0.92 115.26 117.79 2d49 n ASN 22 Ca -0.10 0.39 0.00 0.00 0.45 0.00 0.00 54.58 55.32 2d49 n ASN 22 Cb 0.57 -4.41 0.00 0.00 1.23 0.00 0.00 39.78 37.17 2d49 n ASN 22 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2d49 n GLY 23 N -0.73 1.04 1.47 8.20 0.00 -1.26 -5.02 105.19 108.90 2d49 n GLY 23 Ca -0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 2d49 n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d49 n ARG 24 N -2.00 1.38 -4.83 1.61 3.00 -0.10 -0.42 116.66 115.29 2d49 n ARG 24 Ca 0.00 -1.44 -0.30 0.00 -0.01 0.00 0.00 57.85 56.10 2d49 n ARG 24 Cb 0.00 0.30 -0.17 0.00 0.00 0.00 0.00 32.46 32.59 2d49 n ARG 24 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 2d49 s ASN 25 N -2.18 2.78 -0.13 0.55 0.01 -0.81 -0.38 114.94 114.78 2d49 s ASN 25 Ca 0.05 -0.51 -0.03 0.00 -0.71 0.00 0.00 52.86 51.66 2d49 s ASN 25 Cb -0.00 -1.27 -0.03 0.00 0.41 0.00 0.00 41.25 40.35 2d49 s ASN 25 CO 0.03 0.09 -0.01 -0.31 -1.51 0.00 0.00 177.10 175.39 2d49 s TYR 26 N 0.64 3.11 -0.17 2.20 2.02 0.47 -0.08 117.35 125.55 2d49 s TYR 26 Ca -0.13 -0.04 0.01 0.00 -0.37 0.00 0.00 57.07 56.55 2d49 s TYR 26 Cb -0.16 -1.90 0.02 0.00 -0.40 0.00 0.00 41.96 39.51 2d49 s TYR 26 CO 0.03 0.20 -0.19 0.99 -1.57 0.00 0.00 175.55 175.02 2d49 s THR 27 N -0.16 1.94 0.97 -0.71 2.01 0.52 -0.40 115.64 119.82 2d49 s THR 27 Ca 0.04 -0.87 -0.12 0.00 0.31 0.00 0.00 61.69 61.04 2d49 s THR 27 Cb -0.13 -1.76 0.17 0.00 0.01 0.00 0.00 72.50 70.80 2d49 s THR 27 CO 0.02 0.52 1.11 0.00 -0.69 0.00 0.00 174.62 175.59 2d49 s ALA 28 N 1.26 1.25 -0.02 7.40 0.00 -0.61 -2.43 121.76 128.60 2d49 s ALA 28 Ca 0.03 -0.46 0.05 0.00 0.00 0.00 0.00 51.96 51.58 2d49 s ALA 28 Cb -0.13 -3.07 -0.07 0.00 0.00 0.00 0.00 23.12 19.84 2d49 s ALA 28 CO -0.11 -2.66 0.08 1.63 0.00 0.00 0.00 175.76 174.71 2d49 n LYS 29 N -4.04 1.17 -2.69 0.00 4.76 -1.15 -3.50 118.16 112.72 2d49 n LYS 29 Ca 0.06 -0.03 -0.04 0.00 -2.87 0.00 0.00 58.31 55.43 2d49 n LYS 29 Cb 0.58 -1.12 0.01 0.00 -1.84 0.00 0.00 35.03 32.67 2d49 n LYS 29 CO 0.00 0.00 0.00 -2.67 -1.37 0.00 0.00 177.40 173.36 2d49 n TRP 30 N -1.84 -1.46 -1.63 2.13 2.14 -1.26 -4.13 117.44 111.39 2d49 n TRP 30 Ca -0.03 -0.92 -0.50 0.00 2.07 0.00 0.00 57.50 58.12 2d49 n TRP 30 Cb 0.30 0.46 -0.05 0.00 -0.81 0.00 0.00 31.31 31.21 2d49 n TRP 30 CO 0.00 0.00 0.00 1.87 2.07 0.00 0.00 177.69 181.63 2d49 n TRP 31 N -0.35 1.85 -3.73 -2.67 -0.00 -1.26 -3.53 117.44 107.74 2d49 n TRP 31 Ca -0.03 0.47 -0.12 0.00 -0.00 0.00 0.00 57.50 57.82 2d49 n TRP 31 Cb 0.34 -2.43 -0.11 0.00 -0.00 0.00 0.00 31.31 29.11 2d49 n TRP 31 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 177.69 177.61 2d49 s THR 32 N 1.00 -0.01 0.53 5.87 -1.32 0.50 -4.94 115.64 117.28 2d49 s THR 32 Ca 0.84 0.04 -0.03 0.00 -1.21 0.00 0.00 61.69 61.32 2d49 s THR 32 Cb -0.86 -0.52 0.11 0.00 -1.51 0.00 0.00 72.50 69.72 2d49 s THR 32 CO 0.45 0.01 0.73 0.00 -2.21 0.00 0.00 174.62 173.60 2d49 n GLN 33 N 3.34 -0.14 -1.48 7.08 1.13 -1.26 -1.86 117.38 124.19 2d49 n GLN 33 Ca -0.17 -1.70 -0.44 0.00 -1.94 0.00 0.00 57.00 52.75 2d49 n GLN 33 Cb 0.56 -0.57 -0.09 0.00 0.11 0.00 0.00 30.24 30.26 2d49 n GLN 33 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 2d49 n ASN 34 N -3.11 1.51 -3.85 1.08 0.23 -1.26 -4.85 115.26 105.01 2d49 n ASN 34 Ca 0.11 0.09 -0.12 0.00 -0.53 0.00 0.00 54.58 54.13 2d49 n ASN 34 Cb 0.39 -1.22 -0.12 0.00 -2.08 0.00 0.00 39.78 36.75 2d49 n ASN 34 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 2d49 s GLU 35 N 7.69 0.23 -0.17 -3.83 0.41 -1.26 -5.07 118.70 116.70 2d49 s GLU 35 Ca 1.15 -0.01 -0.29 0.00 -0.41 0.00 0.00 54.97 55.42 2d49 s GLU 35 Cb -0.83 0.10 -0.05 0.00 -1.78 0.00 0.00 34.13 31.57 2d49 s GLU 35 CO 0.43 -0.04 2.04 1.03 -0.49 0.00 0.00 175.26 178.24 2d49 s ARG 36 N -0.36 3.45 0.42 1.61 0.52 -1.26 -4.95 118.95 118.39 2d49 s ARG 36 Ca -0.04 2.05 -0.24 0.00 -0.52 0.00 0.00 55.73 56.97 2d49 s ARG 36 Cb -0.03 -4.27 -0.08 0.00 0.52 0.00 0.00 34.95 31.09 2d49 s ARG 36 CO 0.00 -1.73 1.18 -1.25 0.02 0.00 0.00 175.30 173.52 2d49 s PRO 37 N 5.66 3.93 0.00 3.54 0.04 -1.26 -3.18 135.00 143.73 2d49 s PRO 37 Ca 0.92 1.84 0.00 0.00 0.04 0.00 0.00 61.00 63.80 2d49 s PRO 37 Cb -0.33 -2.58 0.00 0.00 0.04 0.00 0.00 34.50 31.63 2d49 s PRO 37 CO 0.36 -0.42 0.00 0.41 0.04 0.00 0.00 177.00 177.38 2d49 n GLY 38 N 0.57 3.25 0.05 0.56 0.00 -1.26 -4.76 105.19 103.59 2d49 n GLY 38 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.07 2d49 n GLY 38 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2d49 n THR 39 N -1.75 0.59 -3.78 2.61 -1.04 -1.19 -4.98 114.28 104.74 2d49 n THR 39 Ca 0.00 -0.53 -0.34 0.00 -2.04 0.00 0.00 64.05 61.14 2d49 n THR 39 Cb 0.00 -0.28 -0.05 0.00 -1.82 0.00 0.00 70.33 68.18 2d49 n THR 39 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2d49 s SER 40 N -4.44 6.47 0.63 8.00 0.15 -1.20 -4.98 113.70 118.33 2d49 s SER 40 Ca -0.07 0.52 0.41 0.00 0.70 0.00 0.00 55.95 57.51 2d49 s SER 40 Cb 0.07 -2.07 2.11 0.00 -1.71 0.00 0.00 66.02 64.41 2d49 s SER 40 CO 0.65 0.24 2.26 0.44 1.20 0.00 0.00 173.24 178.03 2d49 h ASP 41 N 3.88 0.00 -0.51 5.45 3.32 -1.94 -2.16 116.42 124.46 2d49 h ASP 41 Ca -0.49 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.49 2d49 h ASP 41 Cb 1.19 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.72 2d49 h ASP 41 CO 0.67 0.00 0.08 1.62 -1.72 0.00 0.00 179.24 179.90 2d49 h VAL 42 N 0.00 1.24 -3.48 -1.35 3.04 -1.96 -3.41 116.25 110.33 2d49 h VAL 42 Ca -0.00 -0.94 -0.62 0.00 -1.01 0.00 0.00 66.70 64.13 2d49 h VAL 42 Cb 0.15 0.72 -0.15 0.00 -2.01 0.00 0.00 31.29 30.00 2d49 h VAL 42 CO 0.00 0.35 -0.52 0.26 -1.01 0.00 0.00 177.57 176.64 2d49 s TRP 43 N -5.14 3.30 -0.04 3.17 0.52 -0.81 -2.94 118.94 116.99 2d49 s TRP 43 Ca -0.10 0.16 0.03 0.00 0.02 0.00 0.00 56.10 56.20 2d49 s TRP 43 Cb 0.15 -2.21 0.01 0.00 -1.15 0.00 0.00 33.47 30.27 2d49 s TRP 43 CO 0.82 0.09 -0.11 0.00 0.02 0.00 0.00 176.95 177.77 2d49 s ALA 44 N 0.85 1.05 -0.03 0.98 0.00 -1.02 -4.25 121.76 119.35 2d49 s ALA 44 Ca 0.06 -0.38 -0.32 0.00 0.00 0.00 0.00 51.96 51.33 2d49 s ALA 44 Cb -0.13 -0.43 -0.10 0.00 0.00 0.00 0.00 23.12 22.46 2d49 s ALA 44 CO 0.03 0.14 1.94 -3.47 0.00 0.00 0.00 175.76 174.39 2d49 n ASP 45 N 3.49 3.83 -0.84 0.00 2.03 -1.26 -0.36 116.55 123.44 2d49 n ASP 45 Ca -0.20 0.93 0.09 0.00 0.52 0.00 0.00 54.79 56.12 2d49 n ASP 45 Cb 0.53 -1.45 0.25 0.00 -0.72 0.00 0.00 41.12 39.73 2d49 n ASP 45 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2d49 n LYS 46 N 7.16 2.83 -1.34 -0.67 3.00 0.88 -4.87 118.16 125.15 2d49 n LYS 46 Ca 0.21 -2.82 0.00 0.00 -0.00 0.00 0.00 58.31 55.71 2d49 n LYS 46 Cb 0.35 -1.82 0.00 0.00 0.00 0.00 0.00 35.03 33.57 2d49 n LYS 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2d49 n GLY 47 N -0.55 0.43 3.51 3.14 0.00 -1.23 -4.96 105.19 105.54 2d49 n GLY 47 Ca 0.21 -1.64 -0.24 0.00 0.00 0.00 0.00 46.02 44.35 2d49 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d49 s ALA 48 N -1.00 2.83 -0.16 4.61 0.00 -1.26 -1.92 121.76 124.85 2d49 s ALA 48 Ca 0.00 -1.76 -0.05 0.00 0.00 0.00 0.00 51.96 50.15 2d49 s ALA 48 Cb 0.00 -0.43 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 2d49 s ALA 48 CO 0.00 0.32 -0.00 0.00 0.00 0.00 0.00 175.76 176.07 2d49 s GLY 50 N 0.32 1.94 -0.15 0.00 0.00 -1.04 -4.69 107.32 103.70 2d49 s GLY 50 Ca -0.01 -0.98 -0.28 0.00 0.00 0.00 0.00 44.72 43.45 2d49 s GLY 50 CO 0.02 0.67 0.69 -1.08 0.00 0.00 0.00 173.10 173.39 2d49 s THR 51 N 1.66 0.00 0.47 0.90 -1.32 -1.26 -4.68 115.64 111.41 2d49 s THR 51 Ca 0.09 -0.01 -0.19 0.00 -1.21 0.00 0.00 61.69 60.37 2d49 s THR 51 Cb -0.15 -0.99 -0.09 0.00 -1.51 0.00 0.00 72.50 69.76 2d49 s THR 51 CO 0.09 -0.00 0.97 -0.83 -2.21 0.00 0.00 174.62 172.64 2d49 s GLY 52 N -0.43 2.22 0.00 6.08 0.00 -1.26 -5.20 107.32 108.74 2d49 s GLY 52 Ca -0.06 0.29 0.00 0.00 0.00 0.00 0.00 44.72 44.95 2d49 s GLY 52 CO 0.05 0.57 0.02 -1.26 0.00 0.00 0.00 173.10 172.48